6-(3-chloro-5-fluorophenyl)pyridine-3-carbaldehyde

C12H7ClFNO — CID 175646834

IUPAC6-(3-chloro-5-fluorophenyl)pyridine-3-carbaldehyde
SMILESO=Cc1ccc(-c2cc(F)cc(Cl)c2)nc1
InChIInChI=1S/C12H7ClFNO/c13-10-3-9(4-11(14)5-10)12-2-1-8(7-16)6-15-12/h1-7H
InChIKeyVNDFONCQGKVGAD-UHFFFAOYSA-N
MW235.65 g/mol
LogP3.35
Rot. Bonds2

About 6-(3-chloro-5-fluorophenyl)pyridine-3-carbaldehyde

6-(3-chloro-5-fluorophenyl)pyridine-3-carbaldehyde (PubChem CID 175646834) has the molecular formula C12H7ClFNO and a molecular weight of 235.65 g/mol. Its IUPAC name is 6-(3-chloro-5-fluorophenyl)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-(3-chloro-5-fluorophenyl)pyridine-3-carbaldehyde
PubChem CID175646834
Molecular FormulaC12H7ClFNO
Molecular Weight235.65 g/mol
Exact Mass235.02
IUPAC Name6-(3-chloro-5-fluorophenyl)pyridine-3-carbaldehyde
SMILESO=Cc1ccc(-c2cc(F)cc(Cl)c2)nc1
InChIInChI=1S/C12H7ClFNO/c13-10-3-9(4-11(14)5-10)12-2-1-8(7-16)6-15-12/h1-7H
InChIKeyVNDFONCQGKVGAD-UHFFFAOYSA-N
XLogP3.35
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.65
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 6-(3-chloro-5-fluorophenyl)pyridine-3-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-chloro-5-(5-fluoro-2-pyridinyl)benzaldehyde
CID 122476961
6-(2-chloro-4-fluorophenyl)pyridine-3-carbaldehyde
CID 175646824
1-[6-(3-chloro-5-fluorophenyl)-3-pyridinyl]ethanone
CID 175646991
2-(3-chloro-5-fluorophenyl)-4-fluoropyridine
CID 102824538
3-(3,5-dichlorophenyl)-5-fluorobenzaldehyde
CID 134623785
6-(4-iodophenyl)pyridine-3-carbaldehyde
CID 24729737
3-(3-chloro-5-fluorophenyl)-1H-pyridazin-6-one
CID 106521121
6-chloro-5-(3,5-dichlorophenyl)pyridine-3-carbaldehyde
CID 133088126
2-(5-fluoro-2-pyridinyl)pyrimidine-5-carbaldehyde
CID 79717980
4-chloro-6-(3-chloro-5-fluorophenyl)pyrimidine
CID 24902118
4-(6-chloro-5-fluoro-3-pyridinyl)benzaldehyde
CID 118798759
4-(3,5-difluorophenyl)benzaldehyde
CID 11367947

Frequently Asked Questions

What is the IUPAC name of 6-(3-chloro-5-fluorophenyl)pyridine-3-carbaldehyde?
The IUPAC name of 6-(3-chloro-5-fluorophenyl)pyridine-3-carbaldehyde (CID 175646834) is 6-(3-chloro-5-fluorophenyl)pyridine-3-carbaldehyde.
What is the SMILES notation for 6-(3-chloro-5-fluorophenyl)pyridine-3-carbaldehyde?
The canonical SMILES for 6-(3-chloro-5-fluorophenyl)pyridine-3-carbaldehyde is O=Cc1ccc(-c2cc(F)cc(Cl)c2)nc1.
What is the InChIKey of 6-(3-chloro-5-fluorophenyl)pyridine-3-carbaldehyde?
The InChIKey is VNDFONCQGKVGAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClFNO/c13-10-3-9(4-11(14)5-10)12-2-1-8(7-16)6-15-12/h1-7H.
What are the key properties of 6-(3-chloro-5-fluorophenyl)pyridine-3-carbaldehyde?
6-(3-chloro-5-fluorophenyl)pyridine-3-carbaldehyde has a molecular weight of 235.65 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chloro-5-fluorophenyl)pyridine-3-carbaldehyde is sourced from PubChem (CID 175646834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).